Geometry & MOs

Info

ID:	158616
PubChem CID:	56464320
Reduced:	SN4O4H20C22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	437.078052
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	10.49
IP(EA), eV:	-8.77(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(E)-2-carboxyethenyl]-2-methoxyphenyl]sulfonylamino]-3,5-dimethoxybenzoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C2=CC=CC=C21)S(=O)(=O)NC3=CC=C(C=C3)N4C=CC(=N4)C(=O)N

DOS

IR

Vibrations